1-[4-[(1S)-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one

C18H24N4OS — CID 97233107

IUPAC1-[4-[(1S)-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESC[C@H](NCc1csc(N(C)C)n1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H24N4OS/c1-13(19-11-15-12-24-18(20-15)21(2)3)14-6-8-16(9-7-14)22-10-4-5-17(22)23/h6-9,12-13,19H,4-5,10-11H2,1-3H3/t13-/m0/s1
InChIKeyBVXZFQDYLNRGDZ-ZDUSSCGKSA-N
MW344.48 g/mol
LogP3.19
Rot. Bonds6

About 1-[4-[(1S)-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one

1-[4-[(1S)-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one (PubChem CID 97233107) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[4-[(1S)-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(1S)-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one
PubChem CID97233107
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-[4-[(1S)-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESC[C@H](NCc1csc(N(C)C)n1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H24N4OS/c1-13(19-11-15-12-24-18(20-15)21(2)3)14-6-8-16(9-7-14)22-10-4-5-17(22)23/h6-9,12-13,19H,4-5,10-11H2,1-3H3/t13-/m0/s1
InChIKeyBVXZFQDYLNRGDZ-ZDUSSCGKSA-N
XLogP3.19
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(1S)-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

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[(2S,4S)-4-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
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4-(6-fluoroindolin-1-yl)-N-(4-methylthiazol-2-yl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(1S)-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one (CID 97233107) is 1-[4-[(1S)-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(1S)-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(1S)-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one is C[C@H](NCc1csc(N(C)C)n1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[(1S)-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one?
The InChIKey is BVXZFQDYLNRGDZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13(19-11-15-12-24-18(20-15)21(2)3)14-6-8-16(9-7-14)22-10-4-5-17(22)23/h6-9,12-13,19H,4-5,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-[4-[(1S)-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one?
1-[4-[(1S)-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 344.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 97233107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).